2-methyl-5-[2-(4-methylcyclohex-2-en-1-yl)ethyl]oxane

C15H26O — CID 126703879

IUPAC2-methyl-5-[2-(4-methylcyclohex-2-en-1-yl)ethyl]oxane
SMILESCC1C=CC(CCC2CCC(C)OC2)CC1
InChIInChI=1S/C15H26O/c1-12-3-6-14(7-4-12)9-10-15-8-5-13(2)16-11-15/h3,6,12-15H,4-5,7-11H2,1-2H3
InChIKeyWOMOYWIQJIYJSO-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.18
Rot. Bonds3

About 2-methyl-5-[2-(4-methylcyclohex-2-en-1-yl)ethyl]oxane

2-methyl-5-[2-(4-methylcyclohex-2-en-1-yl)ethyl]oxane (PubChem CID 126703879) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-methyl-5-[2-(4-methylcyclohex-2-en-1-yl)ethyl]oxane.

Molecular Properties

Compound Name2-methyl-5-[2-(4-methylcyclohex-2-en-1-yl)ethyl]oxane
PubChem CID126703879
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2-methyl-5-[2-(4-methylcyclohex-2-en-1-yl)ethyl]oxane
SMILESCC1C=CC(CCC2CCC(C)OC2)CC1
InChIInChI=1S/C15H26O/c1-12-3-6-14(7-4-12)9-10-15-8-5-13(2)16-11-15/h3,6,12-15H,4-5,7-11H2,1-2H3
InChIKeyWOMOYWIQJIYJSO-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(1S,4S)-4-methylcyclohex-2-en-1-yl]propan-1-ol
CID 134991836
4-[4-[2-(6-methyloxan-3-yl)ethyl]cyclohexyl]phenol
CID 143210026
3-propyl-6-[2-(4-propylcyclohexyl)ethyl]cyclohexene
CID 123149803
[(1S,4S)-4-methylcyclohex-2-en-1-yl]methanol
CID 97050185
2-[2-(6-methyloxan-3-yl)ethyl]-5-propylpiperidine
CID 118486114
(2R,5S)-5-benzyl-2-methyloxane
CID 15352618
2-methyl-5-[(4-methylphenyl)methyl]oxane
CID 123844175
4-[2-(4-ethylcyclohexyl)ethyl]cyclohex-2-en-1-amine
CID 143331042
(3S,6R)-6-methyloxan-3-amine
CID 130197714
(4-methylcyclohex-2-en-1-yl)methanesulfinic acid
CID 163788390
(2S)-2,5-dimethyl-1,4-dioxane
CID 6712981
1,4-dimethylcyclohexane;bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);2,5-dimethyl-1,4-dioxane;bis(2,5-dimethyloxane);molecular hydrogen
CID 161124152

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(4-methylcyclohex-2-en-1-yl)ethyl]oxane?
The IUPAC name of 2-methyl-5-[2-(4-methylcyclohex-2-en-1-yl)ethyl]oxane (CID 126703879) is 2-methyl-5-[2-(4-methylcyclohex-2-en-1-yl)ethyl]oxane.
What is the SMILES notation for 2-methyl-5-[2-(4-methylcyclohex-2-en-1-yl)ethyl]oxane?
The canonical SMILES for 2-methyl-5-[2-(4-methylcyclohex-2-en-1-yl)ethyl]oxane is CC1C=CC(CCC2CCC(C)OC2)CC1.
What is the InChIKey of 2-methyl-5-[2-(4-methylcyclohex-2-en-1-yl)ethyl]oxane?
The InChIKey is WOMOYWIQJIYJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-12-3-6-14(7-4-12)9-10-15-8-5-13(2)16-11-15/h3,6,12-15H,4-5,7-11H2,1-2H3.
What are the key properties of 2-methyl-5-[2-(4-methylcyclohex-2-en-1-yl)ethyl]oxane?
2-methyl-5-[2-(4-methylcyclohex-2-en-1-yl)ethyl]oxane has a molecular weight of 222.37 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(4-methylcyclohex-2-en-1-yl)ethyl]oxane is sourced from PubChem (CID 126703879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).